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Density Functional Theory in Quantum Chemistry
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Density Functional Theory in Quantum Chemistry

2014 ed.

Book Details

Format Hardback or Cased Book
ISBN-10 4431548246
ISBN-13 9784431548249
Edition 2014 ed.
Publisher Springer Verlag, Japan
Imprint Springer Verlag, Japan
Country of Manufacture GB
Country of Publication GB
Publication Date Mar 6th, 2014
Print length 200 Pages
Weight 446 grams
Dimensions 16.00 x 24.00 x 1.40 cms
Ksh 23,400.00
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In this book, density functional theory (DFT) is introduced within the overall context of quantum chemistry. This book first reviews the basic concepts and historical background of quantum chemistry and then explains those of DFT, showing how the latter fits into the bigger picture.
In this book, density functional theory (DFT) is introduced within the overall context of quantum chemistry. DFT has become the most frequently used theory in quantum chemistry calculations. However, thus far, there has been no book on the fundamentals of DFT that uses the terminology and methodology of quantum chemistry, which is familiar to many chemists, including experimentalists. This book first reviews the basic concepts and historical background of quantum chemistry and then explains those of DFT, showing how the latter fits into the bigger picture. Recent interesting topics of DFT in chemistry are also targeted. In particular, the physical meanings of state-of-the-art exchange-correlation functionals and their corrections are described in detail. Owing to its unconventionality, this book is certain to be of great interest not only to chemists but also to solid state physicists.

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